N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine

C9H15N — CID 573072

IUPACN,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine
SMILESCN(C)C1=CC2CCC1C2
InChIInChI=1S/C9H15N/c1-10(2)9-6-7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3
InChIKeyMIHIULXPJAWFAY-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds1

About N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine

N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine (PubChem CID 573072) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine.

Molecular Properties

Compound NameN,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine
PubChem CID573072
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine
SMILESCN(C)C1=CC2CCC1C2
InChIInChI=1S/C9H15N/c1-10(2)9-6-7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3
InChIKeyMIHIULXPJAWFAY-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine?
The IUPAC name of N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine (CID 573072) is N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine.
What is the SMILES notation for N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine?
The canonical SMILES for N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine is CN(C)C1=CC2CCC1C2.
What is the InChIKey of N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine?
The InChIKey is MIHIULXPJAWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10(2)9-6-7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine?
N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[2.2.1]hept-2-en-2-amine is sourced from PubChem (CID 573072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).